(4-methylphenyl)methyl 3-[(3,5-dimethylphenyl)-naphthalen-2-ylsulfonyl-amino]propanoate

Systemtic Name: (4-methylphenyl)methyl 3-[(3,5-dimethylphenyl)-naphthalen-2-ylsulfonyl-amino]propanoate Openeye Name: p-tolylmethyl 3-[3,5-dimethyl-N-(2-naphthylsulfonyl)anilino]propanoate CAS Name: 3-[3,5-dimethyl-N-(2-naphthalenylsulfonyl)anilino]propanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanoate Traditional Name: 3-[3,5-dimethyl-N-(2-naphthylsulfonyl)anilino]propionic acid (4-methylbenzyl) ester Formula: C29H29NO4S MolecularWeight: 487.60986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)CCN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)CCN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H29NO4S/c1-21-8-10-24(11-9-21)20-34-29(31)14-15-30(27-17-22(2)16-23(3)18-27)35(32,33)28-13-12-25-6-4-5-7-26(25)19-28/h4-13,16-19H,14-15,20H2,1-3H3